In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 12 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -1.27 | -2.38 | -49.26 | 5 | 5 | 1 | 89 | 174.224 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.27 | -3.75 | -16.87 | 4 | 5 | 0 | 84 | 173.216 | 6 | ↓ |